2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid

C12H23NO4S — CID 123502426

IUPAC2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(CS(=O)(=O)N(C)CC)CC1C(=O)O
InChIInChI=1S/C12H23NO4S/c1-4-10-6-9(7-11(10)12(14)15)8-18(16,17)13(3)5-2/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyXJNASOPCLUWNIQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.40
Rot. Bonds6

About 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid

2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 123502426) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid
PubChem CID123502426
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(CS(=O)(=O)N(C)CC)CC1C(=O)O
InChIInChI=1S/C12H23NO4S/c1-4-10-6-9(7-11(10)12(14)15)8-18(16,17)13(3)5-2/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyXJNASOPCLUWNIQ-UHFFFAOYSA-N
XLogP1.40
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylsulfamoylmethyl)-2-ethylcyclopentane-1-carboxylic acid
CID 58557810
(1S,2R,4S)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 58010069
(1S,2S,4R)-4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylic acid
CID 67998853
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
2-ethylsulfonylcyclopropane-1-carboxylic acid
CID 102549962
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
4-(1,3-dioxolan-2-yl)-2-ethylcyclopentane-1-carboxylic acid
CID 58557815
4-ethyl-2-(3-ethylsulfonylpropyl)cyclohexane-1-carboxylic acid
CID 81021131
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid (CID 123502426) is 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid is CCC1CC(CS(=O)(=O)N(C)CC)CC1C(=O)O.
What is the InChIKey of 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is XJNASOPCLUWNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-4-10-6-9(7-11(10)12(14)15)8-18(16,17)13(3)5-2/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid?
2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 277.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 123502426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).